Compound Detail
CHEMBL608658
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O=[N+]([O-])c1c(Cl)c(Cl)cc2c1nc(O)n2C1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL608658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJIJPZLRHFYQRV-ZBCCYFLUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
380.1
MW (Da)
0.57
ALogP
9
HBA
4
HBD
151.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HFF CHEMBL614071 | IC50 | 4.0 | 4.0 | 100000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HFF | IC50 | = | 100000.0 | nM | 4.0 | Compound was evaluated for the visual cytotoxicity scored on HFF cells at time o... | 7562945 |
| HFF | IC50 | = | 100000.0 | nM | 4.0 | Cytotoxicity against human foreskin fibroblasts (HFF) cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562945 | 10.1021/jm00020a025 | Human betaherpesvirus 5 | 1 |
| 7562945 | 10.1021/jm00020a025 | Human alphaherpesvirus 1 | 1 |
| 7562945 | 10.1021/jm00020a025 | HFF | 1 |
| - | 10.1016/S0960-894X(00)80628-9 | Human betaherpesvirus 5 | 1 |
| - | 10.1016/S0960-894X(00)80628-9 | Human alphaherpesvirus 1 | 1 |
| - | 10.1016/S0960-894X(00)80628-9 | HFF | 1 |
Data from ChEMBL 36 via Core Engine